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CAS 1249531-45-0 1-(DiMethylcarbaMoyl)piperidine-2-carboxylic Acid molecular structure lightbox
CAS RN: 1249531-45-0

1-(DiMethylcarbaMoyl)piperidine-2-carboxylic Acid

  • Product code: SSC-029333
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1249531-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1249531-45-0 / 1-(dimethylcarbamoyl)piperidine-2-carboxylic acid

Standard CAS: 1249531-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1249531-45-0
Multi CAS
No
Molecular Formula
C9H16N2O3
Molecular Weight
200.230000
Exact Mass
200.116092
SMILES
CN(C)C(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C9H16N2O3/c1-10(2)9(14)11-6-4-3-5-7(11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKey
LJYFQLSMXRXSDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.06
TPSA
60.85

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.4
Consensus LogP
0.51
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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